acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine

C6H14N8O2 — CID 54603546

IUPACacetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
SMILESCC(=O)O.NC(N)=N/N=C/C=N/N=C(N)N
InChIInChI=1S/C4H10N8.C2H4O2/c5-3(6)11-9-1-2-10-12-4(7)8;1-2(3)4/h1-2H,(H4,5,6,11)(H4,7,8,12);1H3,(H,3,4)/b9-1+,10-2+;
InChIKeyFNENOGPHQADHGS-YCVLQILGSA-N
MW230.23 g/mol
LogP-2.40
Rot. Bonds3

About acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine

acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine (PubChem CID 54603546) has the molecular formula C6H14N8O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine.

Molecular Properties

Compound Nameacetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
PubChem CID54603546
Molecular FormulaC6H14N8O2
Molecular Weight230.23 g/mol
Exact Mass230.12
IUPAC Nameacetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
SMILESCC(=O)O.NC(N)=N/N=C/C=N/N=C(N)N
InChIInChI=1S/C4H10N8.C2H4O2/c5-3(6)11-9-1-2-10-12-4(7)8;1-2(3)4/h1-2H,(H4,5,6,11)(H4,7,8,12);1H3,(H,3,4)/b9-1+,10-2+;
InChIKeyFNENOGPHQADHGS-YCVLQILGSA-N
XLogP-2.40
TPSA190.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine?
The IUPAC name of acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine (CID 54603546) is acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine.
What is the SMILES notation for acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine?
The canonical SMILES for acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine is CC(=O)O.NC(N)=N/N=C/C=N/N=C(N)N.
What is the InChIKey of acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine?
The InChIKey is FNENOGPHQADHGS-YCVLQILGSA-N. The full InChI is InChI=1S/C4H10N8.C2H4O2/c5-3(6)11-9-1-2-10-12-4(7)8;1-2(3)4/h1-2H,(H4,5,6,11)(H4,7,8,12);1H3,(H,3,4)/b9-1+,10-2+;.
What are the key properties of acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine?
acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine has a molecular weight of 230.23 g/mol, XLogP of -2.40, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine is sourced from PubChem (CID 54603546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).